4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C26H28F3N5O — CID 3703846

About 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 3703846) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• PubChem CID: 3703846
• Molecular Formula: C26H28F3N5O
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.22
• IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• SMILES: Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1C(C)C
• InChI: InChI=1S/C26H28F3N5O/c1-17(2)22-18(3)30-23(19-7-5-4-6-8-19)32-24(22)33-13-15-34(16-14-33)25(35)31-21-11-9-20(10-12-21)26(27,28)29/h4-12,17H,13-16H2,1-3H3,(H,31,35)
• InChIKey: LXQOTFYZQSYRSP-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The IUPAC name of 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 3703846) is 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The canonical SMILES for 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1C(C)C.

What is the InChIKey of 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The InChIKey is LXQOTFYZQSYRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c1-17(2)22-18(3)30-23(19-7-5-4-6-8-19)32-24(22)33-13-15-34(16-14-33)25(35)31-21-11-9-20(10-12-21)26(27,28)29/h4-12,17H,13-16H2,1-3H3,(H,31,35).

What are the key properties of 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 3703846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).